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Compile Data Set for Download or QSAR

Found 518 hits of ec50 for UniProtKB: P05305   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin-1


(Homo sapiens (Human))
BDBM172563
PNG
(US9675593, 611)
Show SMILES CCn1ccc2c(c[nH]c(=O)c12)-c1cnn(C)c1
Show InChI InChI=1S/C13H14N4O/c1-3-17-5-4-10-11(7-14-13(18)12(10)17)9-6-15-16(2)8-9/h4-8H,3H2,1-2H3,(H,14,18)
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n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172564
PNG
(US9675593, 612)
Show SMILES Cn1cc(cn1)-c1c[nH]c(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O/c1-15-6-7(4-14-15)9-5-13-11(16)10-8(9)2-3-12-10/h2-6,12H,1H3,(H,13,16)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172565
PNG
(US9675593, 614)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2n(CCO)ccc12
Show InChI InChI=1S/C20H17F3N4O3/c1-25-11-13(10-24-25)17-12-27(14-2-4-15(5-3-14)30-20(21,22)23)19(29)18-16(17)6-7-26(18)8-9-28/h2-7,10-12,28H,8-9H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172566
PNG
(US9675593, 615)
Show SMILES CCn1ccc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cnn(CCO)c1
Show InChI InChI=1S/C21H19F3N4O3/c1-2-26-8-7-17-18(14-11-25-27(12-14)9-10-29)13-28(20(30)19(17)26)15-3-5-16(6-4-15)31-21(22,23)24/h3-8,11-13,29H,2,9-10H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172567
PNG
(US9675593, 617)
Show SMILES CCn1cnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cnn(C)c1
Show InChI InChI=1S/C19H16F3N5O2/c1-3-26-11-23-16-15(12-8-24-25(2)9-12)10-27(18(28)17(16)26)13-4-6-14(7-5-13)29-19(20,21)22/h4-11H,3H2,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172569
PNG
(US9675593, 619)
Show SMILES CCn1nc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C18H15F3N6O2/c1-3-27-23-15-14(11-8-22-25(2)9-11)10-26(17(28)16(15)24-27)12-4-6-13(7-5-12)29-18(19,20)21/h4-10H,3H2,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172570
PNG
(US9675593, 620)
Show SMILES CCn1nc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2n1)-c1cn[nH]c1
Show InChI InChI=1S/C17H13F3N6O2/c1-2-26-23-14-13(10-7-21-22-8-10)9-25(16(27)15(14)24-26)11-3-5-12(6-4-11)28-17(18,19)20/h3-9H,2H2,1H3,(H,21,22)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172573
PNG
(US9675593, 624)
Show SMILES CCn1nnc2c1c(cn(-c1ccc(OC(F)(F)F)cc1)c2=O)-c1cnn(C)c1
Show InChI InChI=1S/C18H15F3N6O2/c1-3-27-16-14(11-8-22-25(2)9-11)10-26(17(28)15(16)23-24-27)12-4-6-13(7-5-12)29-18(19,20)21/h4-10H,3H2,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172574
PNG
(US9675593, 625)
Show SMILES CCn1nnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cnn(C)c1
Show InChI InChI=1S/C18H15F3N6O2/c1-3-27-16-15(23-24-27)14(11-8-22-25(2)9-11)10-26(17(16)28)12-4-6-13(7-5-12)29-18(19,20)21/h4-10H,3H2,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172575
PNG
(US9675593, 626)
Show SMILES CCn1ccc2c1c(cn(-c1ccc(OC(F)(F)F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16F4N2O2/c1-2-27-12-11-18-20(27)19(14-3-5-15(23)6-4-14)13-28(21(18)29)16-7-9-17(10-8-16)30-22(24,25)26/h3-13H,2H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172576
PNG
(US9675593, 628)
Show SMILES Cc1cc(=O)n(cc1-c1cnn(C)c1)-c1cccc(NC(N)=O)c1
Show InChI InChI=1S/C17H17N5O2/c1-11-6-16(23)22(10-15(11)12-8-19-21(2)9-12)14-5-3-4-13(7-14)20-17(18)24/h3-10H,1-2H3,(H3,18,20,24)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172577
PNG
(US9675593, 629)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(c(C)cc1=O)-c1ccnnc1
Show InChI InChI=1S/C19H19N3O2/c1-4-24-16-5-6-18(14(3)9-16)22-12-17(13(2)10-19(22)23)15-7-8-20-21-11-15/h5-12H,4H2,1-3H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172578
PNG
(US9675593, 631)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2[nH]nnc12
Show InChI InChI=1S/C16H11F3N6O2/c1-24-7-9(6-20-24)12-8-25(15(26)14-13(12)21-23-22-14)10-2-4-11(5-3-10)27-16(17,18)19/h2-8H,1H3,(H,21,22,23)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172579
PNG
(US9675593, 634)
Show SMILES CCn1nnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cn[nH]c1
Show InChI InChI=1S/C17H13F3N6O2/c1-2-26-15-14(23-24-26)13(10-7-21-22-8-10)9-25(16(15)27)11-3-5-12(6-4-11)28-17(18,19)20/h3-9H,2H2,1H3,(H,21,22)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172581
PNG
(US9675593, 647)
Show SMILES CC(C)n1ccc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cnn(C)c1
Show InChI InChI=1S/C21H19F3N4O2/c1-13(2)27-9-8-17-18(14-10-25-26(3)11-14)12-28(20(29)19(17)27)15-4-6-16(7-5-15)30-21(22,23)24/h4-13H,1-3H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172582
PNG
(US9675593, 648)
Show SMILES CC(C)n1ccc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cn[nH]c1
Show InChI InChI=1S/C20H17F3N4O2/c1-12(2)26-8-7-16-17(13-9-24-25-10-13)11-27(19(28)18(16)26)14-3-5-15(6-4-14)29-20(21,22)23/h3-12H,1-2H3,(H,24,25)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172583
PNG
(US9675593, 649)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2n(ccc12)C1CC1
Show InChI InChI=1S/C21H17F3N4O2/c1-26-11-13(10-25-26)18-12-28(15-4-6-16(7-5-15)30-21(22,23)24)20(29)19-17(18)8-9-27(19)14-2-3-14/h4-12,14H,2-3H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172584
PNG
(US9675593, 650)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1cc(-c2cn[nH]c2)c2ccn(C3CC3)c2c1=O
Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)29-15-5-3-14(4-6-15)27-11-17(12-9-24-25-10-12)16-7-8-26(13-1-2-13)18(16)19(27)28/h3-11,13H,1-2H2,(H,24,25)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172585
PNG
(US9675593, 651)
Show SMILES COCCn1ccc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cnn(C)c1
Show InChI InChI=1S/C21H19F3N4O3/c1-26-12-14(11-25-26)18-13-28(15-3-5-16(6-4-15)31-21(22,23)24)20(29)19-17(18)7-8-27(19)9-10-30-2/h3-8,11-13H,9-10H2,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172586
PNG
(US9675593, 657)
Show SMILES CCn1cc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C19H16F3N5O2/c1-3-26-10-16-15(12-8-23-25(2)9-12)11-27(18(28)17(16)24-26)13-4-6-14(7-5-13)29-19(20,21)22/h4-11H,3H2,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172587
PNG
(US9675593, 665)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2n(C)cnc12
Show InChI InChI=1S/C18H14F3N5O2/c1-24-10-22-15-14(11-7-23-25(2)8-11)9-26(17(27)16(15)24)12-3-5-13(6-4-12)28-18(19,20)21/h3-10H,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172589
PNG
(US9675593, 666)
Show SMILES Fc1ccc(cc1)-c1c(-c2ccc(OC(F)(F)F)cc2)c(=O)c1=O
Show InChI InChI=1S/C17H8F4O3/c18-11-5-1-9(2-6-11)13-14(16(23)15(13)22)10-3-7-12(8-4-10)24-17(19,20)21/h1-8H
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172590
PNG
(US9675593, 667)
Show SMILES CCOc1ccc(-c2c(-c3ccc(F)cc3)c(=O)c2=O)c(C)c1 |(4.52,-5.84,;3.45,-4.74,;3.86,-3.25,;2.79,-2.15,;1.26,-2.46,;.17,-1.37,;.57,.12,;-.52,1.21,;-2.06,1.21,;-3.15,.12,;-4.63,.52,;-5.72,-.57,;-5.33,-2.06,;-6.41,-3.15,;-3.84,-2.46,;-2.75,-1.37,;-2.06,2.75,;-3.15,3.84,;-.52,2.75,;.57,3.84,;2.06,.52,;2.46,2.01,;3.15,-.57,)|
Show InChI InChI=1S/C19H15FO3/c1-3-23-14-8-9-15(11(2)10-14)17-16(18(21)19(17)22)12-4-6-13(20)7-5-12/h4-10H,3H2,1-2H3
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n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172591
PNG
(US9675593, 669)
Show SMILES CCn1cnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cn[nH]c1
Show InChI InChI=1S/C18H14F3N5O2/c1-2-25-10-22-15-14(11-7-23-24-8-11)9-26(17(27)16(15)25)12-3-5-13(6-4-12)28-18(19,20)21/h3-10H,2H2,1H3,(H,23,24)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172592
PNG
(US9675593, 670)
Show SMILES CCn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2n(CC)cnc12
Show InChI InChI=1S/C20H18F3N5O2/c1-3-26-12-24-17-16(13-9-25-27(4-2)10-13)11-28(19(29)18(17)26)14-5-7-15(8-6-14)30-20(21,22)23/h5-12H,3-4H2,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172593
PNG
(US9675593, 671)
Show SMILES CCn1cnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cnn(c1)C(C)C
Show InChI InChI=1S/C21H20F3N5O2/c1-4-27-12-25-18-17(14-9-26-29(10-14)13(2)3)11-28(20(30)19(18)27)15-5-7-16(8-6-15)31-21(22,23)24/h5-13H,4H2,1-3H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172594
PNG
(US9675593, 672)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1cc(-c2cn[nH]c2)c2nc[nH]c2c1=O
Show InChI InChI=1S/C16H10F3N5O2/c17-16(18,19)26-11-3-1-10(2-4-11)24-7-12(9-5-22-23-6-9)13-14(15(24)25)21-8-20-13/h1-8H,(H,20,21)(H,22,23)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172595
PNG
(US9675593, 673)
Show SMILES CC(C)n1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2n(C)cnc12
Show InChI InChI=1S/C20H18F3N5O2/c1-12(2)28-9-13(8-25-28)16-10-27(19(29)18-17(16)24-11-26(18)3)14-4-6-15(7-5-14)30-20(21,22)23/h4-12H,1-3H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172597
PNG
(US9675593, 675)
Show SMILES Cc1nc2c(c(cn(-c3ccc(OC(F)(F)F)cc3)c2=O)-c2cn[nH]c2)n1C
Show InChI InChI=1S/C18H14F3N5O2/c1-10-24-15-16(25(10)2)14(11-7-22-23-8-11)9-26(17(15)27)12-3-5-13(6-4-12)28-18(19,20)21/h3-9H,1-2H3,(H,22,23)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172607
PNG
(US9675593, 676)
Show SMILES CC(C)n1nnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cnn(C)c1
Show InChI InChI=1S/C19H17F3N6O2/c1-11(2)28-17-16(24-25-28)15(12-8-23-26(3)9-12)10-27(18(17)29)13-4-6-14(7-5-13)30-19(20,21)22/h4-11H,1-3H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172759
PNG
(US9675593, 679)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2nn(CCF)nc12
Show InChI InChI=1S/C18H14F4N6O2/c1-26-9-11(8-23-26)14-10-27(12-2-4-13(5-3-12)30-18(20,21)22)17(29)16-15(14)24-28(25-16)7-6-19/h2-5,8-10H,6-7H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172781
PNG
(US9675593, 682)
Show SMILES CCn1nnc2c1c(cn(-c1ccc(OC(F)(F)F)cc1)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14F4N4O2/c1-2-28-18-16(12-3-5-13(21)6-4-12)11-27(19(29)17(18)25-26-28)14-7-9-15(10-8-14)30-20(22,23)24/h3-11H,2H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172782
PNG
(US9675593, 683)
Show SMILES CCn1nnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14F4N4O2/c1-2-28-18-17(25-26-28)16(12-3-5-13(21)6-4-12)11-27(19(18)29)14-7-9-15(10-8-14)30-20(22,23)24/h3-11H,2H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172784
PNG
(US9675593, 685)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2ccnnc2)c2nn(CC)nc2c1=O
Show InChI InChI=1S/C20H20N6O2/c1-4-26-23-18-16(14-8-9-21-22-11-14)12-25(20(27)19(18)24-26)17-7-6-15(28-5-2)10-13(17)3/h6-12H,4-5H2,1-3H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172786
PNG
(US9675593, 687)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2nnn(CCF)c12
Show InChI InChI=1S/C18H14F4N6O2/c1-26-9-11(8-23-26)14-10-27(12-2-4-13(5-3-12)30-18(20,21)22)17(29)15-16(14)28(7-6-19)25-24-15/h2-5,8-10H,6-7H2,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172824
PNG
(US9675593, 689)
Show SMILES Fc1ccc(cc1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2[nH]ncc12
Show InChI InChI=1S/C19H11F4N3O2/c20-12-3-1-11(2-4-12)16-10-26(18(27)17-15(16)9-24-25-17)13-5-7-14(8-6-13)28-19(21,22)23/h1-10H,(H,24,25)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172825
PNG
(US9675593, 690)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2N(CCc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H23F3N4O4/c1-22(2,3)34-21(32)29-10-9-17-18(14-11-27-28(4)12-14)13-30(20(31)19(17)29)15-5-7-16(8-6-15)33-23(24,25)26/h5-8,11-13H,9-10H2,1-4H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172826
PNG
(US9675593, 691)
Show SMILES CCOCCn1ccc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cn[nH]c1
Show InChI InChI=1S/C21H19F3N4O3/c1-2-30-10-9-27-8-7-17-18(14-11-25-26-12-14)13-28(20(29)19(17)27)15-3-5-16(6-4-15)31-21(22,23)24/h3-8,11-13H,2,9-10H2,1H3,(H,25,26)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172878
PNG
(US9675593, 692)
Show SMILES CC(C)OCCn1ccc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cn[nH]c1
Show InChI InChI=1S/C22H21F3N4O3/c1-14(2)31-10-9-28-8-7-18-19(15-11-26-27-12-15)13-29(21(30)20(18)28)16-3-5-17(6-4-16)32-22(23,24)25/h3-8,11-14H,9-10H2,1-2H3,(H,26,27)
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172885
PNG
(US9675593, 694)
Show SMILES CCn1ccc2c1c(cn(-c1ccc(OC(F)(F)F)cc1)c2=O)-c1cnn(C)c1
Show InChI InChI=1S/C20H17F3N4O2/c1-3-26-9-8-16-18(26)17(13-10-24-25(2)11-13)12-27(19(16)28)14-4-6-15(7-5-14)29-20(21,22)23/h4-12H,3H2,1-2H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172886
PNG
(US9675593, 695)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2cc[nH]c12
Show InChI InChI=1S/C18H13F3N4O2/c1-24-9-11(8-23-24)15-10-25(17(26)14-6-7-22-16(14)15)12-2-4-13(5-3-12)27-18(19,20)21/h2-10,22H,1H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172892
PNG
(US9675593, 701)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2cccnc2)cc1=O
Show InChI InChI=1S/C24H25N5O2/c1-4-31-20-7-8-23(17(2)10-20)29-16-21(19-14-27-28(3)15-19)22(11-24(29)30)26-13-18-6-5-9-25-12-18/h5-12,14-16,26H,4,13H2,1-3H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM173074
PNG
(US9675593, 702)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2ccc(F)cc2F)cc1=O
Show InChI InChI=1S/C25H24F2N4O2/c1-4-33-20-7-8-24(16(2)9-20)31-15-21(18-13-29-30(3)14-18)23(11-25(31)32)28-12-17-5-6-19(26)10-22(17)27/h5-11,13-15,28H,4,12H2,1-3H3
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SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM173075
PNG
(US9675593, 703)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2cc(F)cc(F)c2)cc1=O
Show InChI InChI=1S/C25H24F2N4O2/c1-4-33-21-5-6-24(16(2)7-21)31-15-22(18-13-29-30(3)14-18)23(11-25(31)32)28-12-17-8-19(26)10-20(27)9-17/h5-11,13-15,28H,4,12H2,1-3H3
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UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM173084
PNG
(US9675593, 704)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2ccc(cc2)C#N)cc1=O
Show InChI InChI=1S/C26H25N5O2/c1-4-33-22-9-10-25(18(2)11-22)31-17-23(21-15-29-30(3)16-21)24(12-26(31)32)28-14-20-7-5-19(13-27)6-8-20/h5-12,15-17,28H,4,14H2,1-3H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM173091
PNG
(US9675593, 705)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(cc1=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-5-32-22-11-12-24(19(2)13-22)30-18-23(21-15-27-29(4)17-21)25(14-26(30)31)28(3)16-20-9-7-6-8-10-20/h6-15,17-18H,5,16H2,1-4H3
UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM173092
PNG
(US9675593, 706)
Show SMILES CCOc1ccc(CNc2cc(=O)n(cc2-c2cnn(C)c2)-c2ccc(OCC)cc2C)c(C)c1
Show InChI InChI=1S/C28H32N4O3/c1-6-34-23-9-8-21(19(3)12-23)15-29-26-14-28(33)32(18-25(26)22-16-30-31(5)17-22)27-11-10-24(35-7-2)13-20(27)4/h8-14,16-18,29H,6-7,15H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM173093
PNG
(US9675593, 707)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2ccc(OCCOC)cc2)cc1=O
Show InChI InChI=1S/C28H32N4O4/c1-5-35-24-10-11-27(20(2)14-24)32-19-25(22-17-30-31(3)18-22)26(15-28(32)33)29-16-21-6-8-23(9-7-21)36-13-12-34-4/h6-11,14-15,17-19,29H,5,12-13,16H2,1-4H3
UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM171390
PNG
(US9675593, 376)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(ccc1=O)-c1cn[nH]c1
Show InChI InChI=1S/C17H17N3O2/c1-3-22-15-5-6-16(12(2)8-15)20-11-13(4-7-17(20)21)14-9-18-19-10-14/h4-11H,3H2,1-2H3,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
Endothelin-1


(Homo sapiens (Human))
BDBM172317
PNG
(US9675593, 391)
Show SMILES Cc1c(cnn1C)-c1ccc(=O)n(c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H14F3N3O2/c1-11-15(9-21-22(11)2)12-3-8-16(24)23(10-12)13-4-6-14(7-5-13)25-17(18,19)20/h3-10H,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair
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